#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz n ASN 2 N 0.00 0.00 -1.07 1.61 5.15 -1.26 -4.94 115.26 114.75 1wuz n ASN 2 Ca 0.00 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.01 1wuz n ASN 2 Cb 0.00 0.07 0.03 0.00 -0.53 0.00 0.00 39.78 39.35 1wuz n ASN 2 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1wuz n SER 3 N -2.12 0.81 -4.56 1.20 3.41 -1.26 -5.04 113.62 106.06 1wuz n SER 3 Ca 0.00 -2.19 -0.41 0.00 -0.26 0.00 0.00 58.87 56.00 1wuz n SER 3 Cb 0.00 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 1wuz n SER 3 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wuz s GLN 4 N -0.37 3.24 -0.01 4.33 -0.21 -1.26 -1.69 119.66 123.69 1wuz s GLN 4 Ca 0.24 -0.11 0.03 0.00 0.02 0.00 0.00 55.36 55.54 1wuz s GLN 4 Cb 0.27 -4.15 -0.01 0.00 1.00 0.00 0.00 33.01 30.12 1wuz s GLN 4 CO -0.10 -2.07 -0.09 0.42 -2.12 0.00 0.00 175.29 171.33 1wuz s ILE 5 N 5.68 0.73 0.03 1.08 -1.09 -0.58 -5.04 121.20 122.01 1wuz s ILE 5 Ca 0.38 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.41 1wuz s ILE 5 Cb -0.08 -0.62 -0.02 0.00 -1.58 0.00 0.00 42.46 40.16 1wuz s ILE 5 CO 0.17 0.21 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.68 1wuz s HIS 6 N -0.20 0.37 0.29 3.97 -3.43 -1.26 -0.94 115.29 114.10 1wuz s HIS 6 Ca 0.03 -0.61 0.07 0.00 -0.80 0.00 0.00 55.06 53.75 1wuz s HIS 6 Cb -0.04 -0.26 -0.06 0.00 -1.43 0.00 0.00 32.58 30.80 1wuz s HIS 6 CO -0.00 -0.20 -0.07 0.71 -2.00 0.00 0.00 174.74 173.18 1wuz s TYR 7 N -1.86 2.01 -0.30 0.38 2.02 0.20 -4.89 117.35 114.91 1wuz s TYR 7 Ca -0.11 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1wuz s TYR 7 Cb -0.07 -1.14 0.07 0.00 -0.40 0.00 0.00 41.96 40.42 1wuz s TYR 7 CO -0.02 0.33 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.15 1wuz s SER 8 N -3.46 4.73 -0.19 2.29 0.01 -0.77 -2.71 113.70 113.60 1wuz s SER 8 Ca 0.30 -1.52 0.01 0.00 1.31 0.00 0.00 55.95 56.05 1wuz s SER 8 Cb 0.03 -1.64 0.03 0.00 0.21 0.00 0.00 66.02 64.65 1wuz s SER 8 CO 0.12 -0.27 -0.16 -0.51 0.41 0.00 0.00 173.24 172.84 1wuz s ILE 9 N 1.13 1.87 0.28 1.44 2.07 -1.00 -4.57 121.20 122.42 1wuz s ILE 9 Ca -0.03 -0.97 -0.29 0.00 -1.41 0.00 0.00 60.65 57.95 1wuz s ILE 9 Cb -0.20 -1.79 -0.10 0.00 0.13 0.00 0.00 42.46 40.50 1wuz s ILE 9 CO -0.04 0.37 1.25 -2.16 -1.91 0.00 0.00 174.94 172.46 1wuz s PRO 10 N 1.33 4.44 0.92 3.50 0.04 -1.26 -1.85 135.00 142.12 1wuz s PRO 10 Ca 0.02 2.06 -0.14 0.00 0.04 0.00 0.00 61.00 62.97 1wuz s PRO 10 Cb -0.14 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1wuz s PRO 10 CO -0.10 -0.10 0.13 0.39 0.04 0.00 0.00 177.00 177.36 1wuz n GLU 11 N 1.48 -0.13 -2.32 4.56 1.02 -0.86 -2.75 120.64 121.64 1wuz n GLU 11 Ca 0.02 -0.01 -0.17 0.00 -0.02 0.00 0.00 57.16 56.98 1wuz n GLU 11 Cb 0.43 -1.64 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wuz n GLU 12 N -0.53 -1.34 -2.61 3.49 2.13 -1.08 -4.91 120.64 115.79 1wuz n GLU 12 Ca 0.05 0.82 -0.41 0.00 0.66 0.00 0.00 57.16 58.27 1wuz n GLU 12 Cb 0.53 -5.25 -0.03 0.00 0.27 0.00 0.00 31.44 26.96 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuz s ALA 13 N -2.84 2.82 0.81 4.31 0.00 -1.11 -4.81 121.76 120.94 1wuz s ALA 13 Ca 0.00 -1.71 -0.14 0.00 0.00 0.00 0.00 51.96 50.11 1wuz s ALA 13 Cb 0.00 -4.26 0.05 0.00 0.00 0.00 0.00 23.12 18.91 1wuz s ALA 13 CO 0.00 -3.29 0.92 1.63 0.00 0.00 0.00 175.76 175.03 1wuz n LYS 14 N 8.91 0.12 -1.68 0.00 4.76 -1.26 -4.40 118.16 124.61 1wuz n LYS 14 Ca 0.10 0.11 -0.52 0.00 -2.87 0.00 0.00 58.31 55.13 1wuz n LYS 14 Cb 0.49 -2.21 -0.06 0.00 -1.84 0.00 0.00 35.03 31.42 1wuz n LYS 14 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1wuz n HIS 15 N -3.16 2.16 0.00 2.13 8.25 -1.26 -1.53 115.22 121.81 1wuz n HIS 15 Ca 0.12 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1wuz n HIS 15 Cb 0.51 -2.55 0.00 0.00 1.12 0.00 0.00 29.99 29.07 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 4.07 1.03 3.80 -1.41 0.00 -0.88 -4.91 105.19 106.90 1wuz n GLY 16 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 4.43 0.42 2.61 2.01 -0.58 -4.66 115.64 117.87 1wuz s THR 17 Ca 0.00 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 63.26 1wuz s THR 17 Cb 0.00 -3.96 -0.09 0.00 0.01 0.00 0.00 72.50 68.46 1wuz s THR 17 CO 0.00 0.26 1.43 0.12 -0.69 0.00 0.00 174.62 175.74 1wuz s PHE 18 N -1.47 2.56 0.03 4.92 5.36 -1.26 -1.79 117.98 126.34 1wuz s PHE 18 Ca 0.43 1.25 0.00 0.00 -0.96 0.00 0.00 56.93 57.66 1wuz s PHE 18 Cb -0.19 -3.92 0.00 0.00 -0.34 0.00 0.00 43.02 38.58 1wuz s PHE 18 CO 0.23 -2.82 0.00 0.28 -1.46 0.00 0.00 175.22 171.45 1wuz n VAL 19 N 0.10 0.12 0.00 3.12 0.31 -0.67 -4.75 118.33 116.57 1wuz n VAL 19 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1wuz n VAL 19 Cb 0.41 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 1wuz n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuz n GLY 20 N 2.37 2.34 3.49 2.92 0.00 -1.25 -1.84 105.19 113.21 1wuz n GLY 20 Ca 0.00 0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1wuz n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wuz n ARG 21 N 0.00 0.54 0.02 1.61 0.00 -1.26 -3.74 116.66 113.83 1wuz n ARG 21 Ca 0.00 0.06 -0.15 0.00 -0.00 0.00 0.00 57.85 57.76 1wuz n ARG 21 Cb 0.00 -2.29 -0.05 0.00 -0.00 0.00 0.00 32.46 30.12 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 1wuz h ILE 22 N 7.65 1.32 0.23 8.89 2.10 -1.89 -2.57 117.51 133.24 1wuz h ILE 22 Ca -0.16 -2.11 -0.01 0.00 1.08 0.00 0.00 64.86 63.66 1wuz h ILE 22 Cb 1.31 2.12 0.00 0.00 -1.09 0.00 0.00 36.82 39.16 1wuz h ILE 22 CO 1.22 0.65 -0.11 0.00 -1.08 0.00 0.00 178.15 178.83 1wuz h ALA 23 N 0.66 -0.31 -0.90 0.18 0.00 -1.87 -1.48 119.26 115.55 1wuz h ALA 23 Ca -0.06 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1wuz h ALA 23 Cb 1.44 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.27 1wuz h ALA 23 CO 0.16 -0.42 0.53 0.37 0.00 0.00 0.00 179.25 179.88 1wuz h GLN 24 N -0.80 0.82 0.00 0.00 -0.00 -1.87 0.19 115.11 113.45 1wuz h GLN 24 Ca -0.03 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.65 58.53 1wuz h GLN 24 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 1wuz h GLN 24 CO 0.05 0.54 -0.17 -0.44 0.00 0.00 0.00 178.83 178.81 1wuz h ASP 25 N 0.85 0.00 0.31 -0.69 5.19 -1.49 -3.12 116.42 117.47 1wuz h ASP 25 Ca 0.45 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.52 1wuz h ASP 25 Cb 0.45 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.99 1wuz h ASP 25 CO -0.27 0.17 -1.49 -0.07 -3.12 0.00 0.00 179.24 174.47 1wuz h LEU 26 N 0.00 0.77 -0.64 1.55 4.07 0.37 -3.49 115.31 117.94 1wuz h LEU 26 Ca -0.00 -0.85 0.00 0.00 0.08 0.00 0.00 57.88 57.11 1wuz h LEU 26 Cb 0.75 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1wuz h LEU 26 CO 0.02 1.67 0.00 0.61 -1.08 0.00 0.00 178.44 179.67 1wuz n GLY 27 N 1.71 0.71 1.32 0.83 0.00 0.26 -5.08 105.19 104.93 1wuz n GLY 27 Ca -0.17 -0.24 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1wuz n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wuz n LEU 28 N -0.32 0.00 -4.72 0.99 4.77 -1.23 -5.09 117.00 111.40 1wuz n LEU 28 Ca 0.00 -1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 54.40 1wuz n LEU 28 Cb 0.21 0.39 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1wuz n LEU 28 CO 0.00 -0.19 -0.23 -0.70 -1.33 0.00 0.00 177.39 174.94 1wuz s GLU 29 N -2.62 3.66 0.57 3.23 2.12 -1.26 -4.83 118.70 119.58 1wuz s GLU 29 Ca 0.08 -0.28 0.27 0.00 0.36 0.00 0.00 54.97 55.39 1wuz s GLU 29 Cb 0.00 -3.15 1.70 0.00 0.26 0.00 0.00 34.13 32.94 1wuz s GLU 29 CO 0.05 0.50 2.23 -0.07 -0.54 0.00 0.00 175.26 177.44 1wuz h LEU 30 N 5.91 0.00 -1.66 2.70 -0.00 -1.93 0.12 115.31 120.46 1wuz h LEU 30 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1wuz h LEU 30 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1wuz h LEU 30 CO 0.65 0.00 0.00 0.35 -0.00 0.00 0.00 178.44 179.44 1wuz n THR 31 N -4.01 0.23 0.74 0.22 -2.24 -1.26 -3.90 114.28 104.06 1wuz n THR 31 Ca -0.03 -0.49 0.09 0.00 -2.27 0.00 0.00 64.05 61.35 1wuz n THR 31 Cb 0.09 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.04 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wuz n GLU 32 N 0.91 0.84 -0.16 -0.78 -0.58 0.41 -4.41 120.64 116.87 1wuz n GLU 32 Ca 0.17 -0.03 -0.10 0.00 -0.42 0.00 0.00 57.16 56.78 1wuz n GLU 32 Cb 0.48 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.96 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wuz h LEU 33 N 0.00 0.83 0.21 -4.62 3.38 -1.62 -1.30 115.31 112.19 1wuz h LEU 33 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.50 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1wuz h LEU 33 CO 0.00 0.97 -0.44 0.58 0.09 0.00 0.00 178.44 179.64 1wuz h VAL 34 N 0.68 0.13 0.00 1.22 2.07 -1.81 -1.48 116.25 117.05 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.57 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1wuz h VAL 34 CO 0.03 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.17 1wuz h PRO 35 N -0.73 0.00 -0.19 1.57 0.13 -1.80 -2.35 132.00 128.62 1wuz h PRO 35 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wuz h PRO 35 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wuz h PRO 35 CO -0.20 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.11 1wuz n ARG 36 N -2.48 1.67 -3.87 0.86 1.74 -0.49 -4.88 116.66 109.20 1wuz n ARG 36 Ca 0.02 -1.01 -0.31 0.00 -0.77 0.00 0.00 57.85 55.77 1wuz n ARG 36 Cb 0.25 -1.35 0.01 0.00 -1.02 0.00 0.00 32.46 30.35 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wuz n LEU 37 N 0.25 -2.13 -4.75 0.55 7.99 -0.89 -1.30 117.00 116.72 1wuz n LEU 37 Ca 0.15 -1.07 -0.42 0.00 -0.01 0.00 0.00 56.01 54.66 1wuz n LEU 37 Cb 0.29 -2.18 -0.02 0.00 -0.11 0.00 0.00 43.42 41.41 1wuz n LEU 37 CO 0.11 0.51 1.25 0.12 -1.51 0.00 0.00 177.39 177.87 1wuz s PHE 38 N -3.71 2.77 -0.12 -1.77 5.36 -1.04 -2.68 117.98 116.78 1wuz s PHE 38 Ca 0.27 0.75 -0.10 0.00 -0.96 0.00 0.00 56.93 56.90 1wuz s PHE 38 Cb -0.11 -4.07 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 1wuz s PHE 38 CO 0.89 -3.63 0.32 1.03 -1.46 0.00 0.00 175.22 172.37 1wuz s ARG 39 N -0.38 0.35 -0.13 10.12 0.52 0.03 -4.99 118.95 124.47 1wuz s ARG 39 Ca 0.64 0.48 -0.05 0.00 -0.52 0.00 0.00 55.73 56.28 1wuz s ARG 39 Cb -0.48 0.12 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 1wuz s ARG 39 CO 0.47 -0.07 0.07 0.08 0.02 0.00 0.00 175.30 175.87 1wuz s VAL 40 N 0.41 4.90 -0.23 3.52 1.01 -1.26 -0.50 120.40 128.24 1wuz s VAL 40 Ca -0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1wuz s VAL 40 Cb -0.04 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.31 1wuz s VAL 40 CO -0.02 0.57 0.19 0.00 0.00 0.00 0.00 175.10 175.84 1wuz s ALA 41 N -0.57 -0.03 0.25 5.51 0.00 -0.73 -4.88 121.76 121.30 1wuz s ALA 41 Ca 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1wuz s ALA 41 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1wuz s ALA 41 CO 0.02 -1.36 0.41 0.45 0.00 0.00 0.00 175.76 175.28 1wuz s SER 42 N 2.26 6.34 -0.15 0.00 0.15 -1.22 -2.07 113.70 119.00 1wuz s SER 42 Ca 0.07 0.30 -0.13 0.00 0.70 0.00 0.00 55.95 56.89 1wuz s SER 42 Cb -0.16 -1.96 -0.23 0.00 -1.71 0.00 0.00 66.02 61.96 1wuz s SER 42 CO -0.19 -0.11 0.31 0.29 1.20 0.00 0.00 173.24 174.74 1wuz n LYS 43 N -1.16 0.68 0.00 5.44 4.76 -1.26 -3.14 118.16 123.48 1wuz n LYS 43 Ca -0.06 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1wuz n LYS 43 Cb 0.55 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wuz n ASP 44 N -3.87 0.00 -0.00 4.39 8.00 -1.26 -4.45 116.55 119.35 1wuz n ASP 44 Ca -0.32 0.72 0.01 0.00 0.71 0.00 0.00 54.79 55.92 1wuz n ASP 44 Cb 0.90 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.76 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wuz n ARG 45 N -1.46 1.53 0.00 -1.24 3.00 -1.26 -5.01 116.66 112.22 1wuz n ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.85 57.82 1wuz n ARG 45 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wuz n GLY 46 N 2.03 2.21 2.52 -0.13 0.00 -1.19 -4.86 105.19 105.77 1wuz n GLY 46 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1wuz n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wuz n ASP 47 N 0.00 1.94 0.01 1.61 2.03 -1.26 -3.44 116.55 117.43 1wuz n ASP 47 Ca 0.00 -3.01 -0.18 0.00 0.52 0.00 0.00 54.79 52.12 1wuz n ASP 47 Cb 0.00 -0.55 -0.12 0.00 -0.72 0.00 0.00 41.12 39.73 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1wuz h LEU 48 N 2.94 0.52 0.00 -2.67 3.38 -1.89 -3.37 115.31 114.21 1wuz h LEU 48 Ca 0.03 -0.80 -0.32 0.00 0.09 0.00 0.00 57.88 56.88 1wuz h LEU 48 Cb 1.03 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 1wuz h LEU 48 CO 0.57 1.25 -0.27 0.18 0.09 0.00 0.00 178.44 180.26 1wuz n LEU 49 N -4.20 0.00 -3.66 1.67 4.32 -1.26 -2.07 117.00 111.80 1wuz n LEU 49 Ca -0.11 -2.52 -0.14 0.00 -0.02 0.00 0.00 56.01 53.21 1wuz n LEU 49 Cb 0.70 1.72 -0.08 0.00 -1.62 0.00 0.00 43.42 44.14 1wuz n LEU 49 CO 0.47 -0.49 0.28 -0.70 -1.22 0.00 0.00 177.39 175.73 1wuz s GLU 50 N -2.92 0.73 0.04 3.23 2.12 -1.06 -4.73 118.70 116.12 1wuz s GLU 50 Ca 0.29 0.65 -0.09 0.00 0.36 0.00 0.00 54.97 56.19 1wuz s GLU 50 Cb 0.01 0.35 -0.05 0.00 0.26 0.00 0.00 34.13 34.70 1wuz s GLU 50 CO 0.21 -0.13 0.34 0.54 -0.54 0.00 0.00 175.26 175.69 1wuz s VAL 51 N -0.04 5.18 -0.25 3.70 0.11 -1.26 -2.42 120.40 125.42 1wuz s VAL 51 Ca -0.03 0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 59.28 1wuz s VAL 51 Cb -0.04 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.15 1wuz s VAL 51 CO 0.02 0.34 0.15 0.21 -3.33 0.00 0.00 175.10 172.49 1wuz s ASN 52 N -1.69 5.91 0.00 3.54 2.47 -1.05 -4.95 114.94 119.17 1wuz s ASN 52 Ca 0.30 0.03 0.17 0.00 0.42 0.00 0.00 52.86 53.78 1wuz s ASN 52 Cb -0.14 -2.07 0.79 0.00 -1.45 0.00 0.00 41.25 38.38 1wuz s ASN 52 CO 0.17 0.03 1.55 0.18 -3.72 0.00 0.00 177.10 175.30 1wuz n LEU 53 N 4.55 0.00 0.33 3.21 4.32 -1.26 -0.06 117.00 128.10 1wuz n LEU 53 Ca -0.15 0.43 -0.13 0.00 -0.02 0.00 0.00 56.01 56.14 1wuz n LEU 53 Cb 0.52 -0.43 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 1wuz n LEU 53 CO 0.34 -0.17 0.43 -0.61 -1.22 0.00 0.00 177.39 176.16 1wuz h GLN 54 N 0.00 -0.83 0.00 3.23 4.15 -1.92 -3.40 115.11 116.33 1wuz h GLN 54 Ca 0.00 0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1wuz h GLN 54 Cb 0.25 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 1wuz h GLN 54 CO 0.00 -0.55 -1.14 -1.71 -1.93 0.00 0.00 178.83 173.50 1wuz n ASN 55 N -4.71 4.33 0.00 -0.69 2.85 -1.23 -5.02 115.26 110.79 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.36 1wuz n ASN 55 Cb 0.34 1.07 0.00 0.00 1.24 0.00 0.00 39.78 42.43 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wuz n GLY 56 N 2.39 2.29 3.62 8.20 0.00 0.92 -4.94 105.19 117.67 1wuz n GLY 56 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1wuz n GLY 56 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wuz n ILE 57 N -1.52 3.30 -3.55 -0.61 0.13 -1.26 -3.75 119.36 112.10 1wuz n ILE 57 Ca 0.00 -0.50 -0.38 0.00 -1.10 0.00 0.00 62.75 60.77 1wuz n ILE 57 Cb 0.00 -1.18 -0.10 0.00 -0.84 0.00 0.00 39.64 37.52 1wuz n ILE 57 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1wuz s LEU 58 N -1.63 4.07 0.25 9.51 1.98 -1.25 -2.52 118.68 129.09 1wuz s LEU 58 Ca 0.72 0.15 0.09 0.00 -2.89 0.00 0.00 54.13 52.20 1wuz s LEU 58 Cb -0.45 -2.22 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 1wuz s LEU 58 CO 0.50 -0.04 0.02 0.72 -1.89 0.00 0.00 176.35 175.66 1wuz s PHE 59 N 1.54 2.77 0.40 5.38 -0.71 -1.02 -1.66 117.98 124.68 1wuz s PHE 59 Ca 0.10 -0.20 -0.25 0.00 -1.04 0.00 0.00 56.93 55.55 1wuz s PHE 59 Cb -0.15 -1.25 -0.08 0.00 -1.21 0.00 0.00 43.02 40.33 1wuz s PHE 59 CO 0.08 0.59 1.15 0.08 -1.34 0.00 0.00 175.22 175.78 1wuz s VAL 60 N -2.20 3.26 -0.30 -2.49 1.01 -0.74 -2.56 120.40 116.39 1wuz s VAL 60 Ca 0.31 1.04 0.19 0.00 0.00 0.00 0.00 61.98 63.52 1wuz s VAL 60 Cb -0.07 -3.57 0.47 0.00 0.00 0.00 0.00 36.38 33.21 1wuz s VAL 60 CO 0.20 0.08 1.16 -3.20 0.00 0.00 0.00 175.10 173.34 1wuz n ASN 61 N 0.05 0.84 -0.99 3.32 5.15 -0.88 -2.06 115.26 120.69 1wuz n ASN 61 Ca 0.04 -2.24 0.00 0.00 -0.60 0.00 0.00 54.58 51.78 1wuz n ASN 61 Cb 0.47 -0.21 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wuz n SER 62 N -0.62 0.00 -4.62 1.20 2.88 -0.90 -4.19 113.62 107.36 1wuz n SER 62 Ca 0.03 -0.99 -0.42 0.00 -1.33 0.00 0.00 58.87 56.16 1wuz n SER 62 Cb 0.82 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.24 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wuz s ARG 63 N -1.96 4.01 -0.01 -1.46 3.00 -1.26 -4.61 118.95 116.65 1wuz s ARG 63 Ca 0.00 0.70 0.13 0.00 0.00 0.00 0.00 55.73 56.55 1wuz s ARG 63 Cb 0.00 -3.72 -0.18 0.00 0.00 0.00 0.00 34.95 31.05 1wuz s ARG 63 CO 0.00 -0.68 0.33 -0.89 0.00 0.00 0.00 175.30 174.06 1wuz n ILE 64 N 5.53 0.00 -1.55 1.52 2.08 -1.26 -4.13 119.36 121.55 1wuz n ILE 64 Ca 0.05 -0.27 -0.46 0.00 0.56 0.00 0.00 62.75 62.63 1wuz n ILE 64 Cb 0.48 0.39 -0.02 0.00 -0.75 0.00 0.00 39.64 39.74 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1wuz n ASP 65 N -1.79 0.78 -0.19 4.38 5.75 -1.26 -2.64 116.55 121.58 1wuz n ASP 65 Ca -0.01 1.17 0.29 0.00 -0.01 0.00 0.00 54.79 56.22 1wuz n ASP 65 Cb 0.30 -1.21 0.72 0.00 -1.03 0.00 0.00 41.12 39.89 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1wuz h ARG 66 N 1.94 0.02 -0.39 0.11 0.11 -1.94 0.50 114.38 114.73 1wuz h ARG 66 Ca -0.38 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.62 1wuz h ARG 66 Cb 1.36 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.43 1wuz h ARG 66 CO 0.61 0.01 -0.09 0.93 0.10 0.00 0.00 179.97 181.53 1wuz h GLU 67 N 0.02 0.75 0.00 0.08 5.08 -1.87 0.33 114.58 118.98 1wuz h GLU 67 Ca 0.44 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1wuz h GLU 67 Cb 1.72 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.93 1wuz h GLU 67 CO -0.01 0.89 -0.21 0.93 -1.00 0.00 0.00 179.01 179.60 1wuz h GLU 68 N 0.56 0.00 0.00 2.33 4.39 -1.04 -3.41 114.58 117.41 1wuz h GLU 68 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1wuz h GLU 68 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1wuz h GLU 68 CO 0.04 0.33 0.00 -0.11 -1.16 0.00 0.00 179.01 178.11 1wuz n LEU 69 N -4.68 0.00 0.07 1.33 -0.00 0.15 -4.91 117.00 108.96 1wuz n LEU 69 Ca -0.07 0.86 0.00 0.00 -0.00 0.00 0.00 56.01 56.80 1wuz n LEU 69 Cb 0.23 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1wuz n LEU 69 CO 0.12 -0.36 0.00 0.00 -0.00 0.00 0.00 177.39 177.15 1wuz n GLY 71 N -1.42 1.47 0.00 0.00 0.00 0.11 -4.57 105.19 100.78 1wuz n GLY 71 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1wuz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N 0.00 0.00 -1.47 1.61 1.74 -1.26 -4.38 116.66 112.90 1wuz n ARG 72 Ca 0.00 0.48 -0.49 0.00 -0.77 0.00 0.00 57.85 57.07 1wuz n ARG 72 Cb 0.00 -1.26 -0.07 0.00 -1.02 0.00 0.00 32.46 30.11 1wuz n ARG 72 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1wuz n SER 73 N -1.62 2.24 -0.14 0.55 7.64 -1.26 -4.83 113.62 116.21 1wuz n SER 73 Ca 0.00 0.34 -0.04 0.00 1.01 0.00 0.00 58.87 60.19 1wuz n SER 73 Cb 0.00 -1.31 0.03 0.00 -1.01 0.00 0.00 64.21 61.93 1wuz n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wuz h ALA 74 N 13.01 0.34 -2.56 -0.43 0.00 -2.00 -3.35 119.26 124.26 1wuz h ALA 74 Ca -0.28 0.16 -0.72 0.00 0.00 0.00 0.00 54.91 54.07 1wuz h ALA 74 Cb 1.31 0.30 -0.22 0.00 0.00 0.00 0.00 17.79 19.18 1wuz h ALA 74 CO 1.02 -0.43 -0.44 -1.21 0.00 0.00 0.00 179.25 178.20 1wuz s GLU 75 N -6.20 2.91 -0.18 0.00 2.02 -1.26 -4.93 118.70 111.06 1wuz s GLU 75 Ca -0.14 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 53.71 1wuz s GLU 75 Cb 0.15 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.43 1wuz s GLU 75 CO 0.71 -0.80 -0.07 0.00 0.02 0.00 0.00 175.26 175.13 1wuz s SER 77 N 0.87 4.54 -0.04 0.00 0.01 -1.26 -2.50 113.70 115.32 1wuz s SER 77 Ca -0.02 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.24 1wuz s SER 77 Cb -0.15 -1.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.93 1wuz s SER 77 CO 0.01 0.35 -0.20 -0.63 0.41 0.00 0.00 173.24 173.18 1wuz s ILE 78 N -0.73 1.65 -0.03 1.44 1.09 -0.73 -5.03 121.20 118.86 1wuz s ILE 78 Ca 0.11 -0.86 0.04 0.00 -1.10 0.00 0.00 60.65 58.85 1wuz s ILE 78 Cb -0.11 -1.39 -0.03 0.00 -1.06 0.00 0.00 42.46 39.87 1wuz s ILE 78 CO 0.01 0.47 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.17 1wuz s HIS 79 N -0.21 2.67 0.04 3.97 3.76 -1.26 -1.90 115.29 122.36 1wuz s HIS 79 Ca 0.01 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.67 1wuz s HIS 79 Cb -0.11 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 1wuz s HIS 79 CO 0.01 0.19 0.14 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -0.86 1.64 -0.17 0.89 0.20 0.76 -4.27 118.68 116.87 1wuz s LEU 80 Ca 0.12 -0.50 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 1wuz s LEU 80 Cb -0.11 0.76 0.05 0.00 -0.43 0.00 0.00 46.19 46.46 1wuz s LEU 80 CO 0.01 -0.55 -0.02 -1.61 -0.29 0.00 0.00 176.35 173.89 1wuz s GLU 81 N -2.77 1.10 -0.50 1.98 2.02 -0.88 -1.17 118.70 118.48 1wuz s GLU 81 Ca -0.04 -0.45 -0.21 0.00 0.02 0.00 0.00 54.97 54.29 1wuz s GLU 81 Cb -0.00 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.31 1wuz s GLU 81 CO -0.05 -0.50 0.72 0.08 0.02 0.00 0.00 175.26 175.53 1wuz s VAL 82 N 1.72 4.72 0.04 2.63 1.01 -0.53 -1.78 120.40 128.22 1wuz s VAL 82 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.67 1wuz s VAL 82 Cb -0.16 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1wuz s VAL 82 CO -0.07 -0.82 0.75 -0.51 0.00 0.00 0.00 175.10 174.44 1wuz s ILE 83 N 3.07 4.75 -0.02 2.22 -1.16 0.34 -0.11 121.20 130.28 1wuz s ILE 83 Ca 0.22 1.59 0.04 0.00 -0.51 0.00 0.00 60.65 61.99 1wuz s ILE 83 Cb -0.16 -4.10 -0.00 0.00 0.61 0.00 0.00 42.46 38.81 1wuz s ILE 83 CO 0.16 0.37 -0.13 0.68 -2.81 0.00 0.00 174.94 173.21 1wuz s VAL 84 N -0.06 1.11 -0.32 4.00 -7.23 0.22 -0.79 120.40 117.32 1wuz s VAL 84 Ca 0.38 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.87 1wuz s VAL 84 Cb -0.20 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 1wuz s VAL 84 CO 0.22 0.32 0.20 -0.62 -0.31 0.00 0.00 175.10 174.92 1wuz s ASP 85 N -0.07 5.85 -0.21 4.85 -1.08 -0.42 -2.31 116.67 123.28 1wuz s ASP 85 Ca 0.00 -0.44 -0.04 0.00 -0.52 0.00 0.00 52.55 51.55 1wuz s ASP 85 Cb -0.08 -2.08 0.00 0.00 -1.46 0.00 0.00 42.92 39.30 1wuz s ASP 85 CO 0.01 -0.21 0.14 0.54 0.52 0.00 0.00 175.17 176.17 1wuz n ARG 86 N 5.05 -1.79 -1.28 4.34 1.74 -1.26 -3.46 116.66 120.00 1wuz n ARG 86 Ca -0.13 1.69 -0.31 0.00 -0.77 0.00 0.00 57.85 58.33 1wuz n ARG 86 Cb 0.50 -3.74 0.09 0.00 -1.02 0.00 0.00 32.46 28.29 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wuz s PRO 87 N -1.36 2.27 -0.48 5.56 0.04 -1.26 -4.35 135.00 135.42 1wuz s PRO 87 Ca 0.06 1.19 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 1wuz s PRO 87 Cb -0.02 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1wuz s PRO 87 CO 0.46 -1.63 0.76 -0.51 0.04 0.00 0.00 177.00 176.12 1wuz s LEU 88 N -5.87 4.40 -0.08 -3.56 1.43 -1.26 -4.64 118.68 109.11 1wuz s LEU 88 Ca 0.62 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.05 1wuz s LEU 88 Cb -0.17 -2.79 0.11 0.00 0.03 0.00 0.00 46.19 43.36 1wuz s LEU 88 CO 0.55 -0.96 1.36 -1.10 0.23 0.00 0.00 176.35 176.44 1wuz s GLN 89 N 3.22 0.10 0.15 1.70 -1.52 -0.98 -5.04 119.66 117.30 1wuz s GLN 89 Ca 0.26 -0.07 0.06 0.00 -1.95 0.00 0.00 55.36 53.66 1wuz s GLN 89 Cb -0.14 0.03 -0.04 0.00 -0.22 0.00 0.00 33.01 32.64 1wuz s GLN 89 CO 0.19 -0.05 -0.13 0.14 -0.25 0.00 0.00 175.29 175.19 1wuz s VAL 90 N -2.02 1.39 0.02 1.09 -7.23 -1.26 -0.61 120.40 111.78 1wuz s VAL 90 Ca 0.29 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.60 1wuz s VAL 90 Cb 0.01 -1.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 1wuz s VAL 90 CO -0.03 -0.53 -0.10 -0.36 -0.31 0.00 0.00 175.10 173.77 1wuz s PHE 91 N -2.59 2.79 -0.33 2.82 0.08 0.84 -4.90 117.98 116.70 1wuz s PHE 91 Ca 0.14 -0.11 -0.20 0.00 0.12 0.00 0.00 56.93 56.88 1wuz s PHE 91 Cb -0.02 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.86 1wuz s PHE 91 CO 0.03 0.34 0.62 -1.58 -0.10 0.00 0.00 175.22 174.53 1wuz s HIS 92 N -0.98 3.19 -0.08 0.36 2.46 -0.68 -1.45 115.29 118.11 1wuz s HIS 92 Ca 0.16 0.47 0.05 0.00 0.47 0.00 0.00 55.06 56.21 1wuz s HIS 92 Cb -0.11 -3.04 -0.01 0.00 -0.13 0.00 0.00 32.58 29.30 1wuz s HIS 92 CO 0.07 -0.53 -0.23 0.08 -2.47 0.00 0.00 174.74 171.66 1wuz s VAL 93 N 2.63 2.18 -0.18 0.89 1.01 -0.32 -1.52 120.40 125.08 1wuz s VAL 93 Ca 0.24 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.20 1wuz s VAL 93 Cb -0.15 -1.82 0.06 0.00 0.00 0.00 0.00 36.38 34.47 1wuz s VAL 93 CO 0.13 0.56 0.04 -1.61 0.00 0.00 0.00 175.10 174.22 1wuz s GLU 94 N 0.08 0.60 -0.18 2.72 2.02 -0.11 -0.17 118.70 123.65 1wuz s GLU 94 Ca -0.10 -0.35 -0.04 0.00 0.02 0.00 0.00 54.97 54.49 1wuz s GLU 94 Cb -0.16 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 1wuz s GLU 94 CO 0.06 -0.62 -0.03 0.14 0.02 0.00 0.00 175.26 174.83 1wuz s VAL 95 N 1.89 3.74 0.16 2.63 -7.23 -0.80 -0.63 120.40 120.15 1wuz s VAL 95 Ca -0.00 -0.40 0.05 0.00 -1.81 0.00 0.00 61.98 59.82 1wuz s VAL 95 Cb -0.17 -2.66 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1wuz s VAL 95 CO -0.08 0.46 0.12 -0.70 -0.31 0.00 0.00 175.10 174.59 1wuz s GLU 96 N 0.83 2.85 0.15 4.82 2.12 -1.10 -1.77 118.70 126.60 1wuz s GLU 96 Ca -0.01 -0.88 -0.26 0.00 0.36 0.00 0.00 54.97 54.18 1wuz s GLU 96 Cb -0.14 -2.62 -0.08 0.00 0.26 0.00 0.00 34.13 31.55 1wuz s GLU 96 CO 0.02 0.49 0.80 0.14 -0.54 0.00 0.00 175.26 176.17 1wuz s VAL 97 N -1.72 4.40 -0.30 3.70 -7.23 -1.04 -2.36 120.40 115.85 1wuz s VAL 97 Ca 0.30 1.76 0.02 0.00 -1.81 0.00 0.00 61.98 62.25 1wuz s VAL 97 Cb -0.10 -4.17 0.07 0.00 0.56 0.00 0.00 36.38 32.74 1wuz s VAL 97 CO 0.23 0.48 -0.02 -0.60 -0.31 0.00 0.00 175.10 174.88 1wuz s ARG 98 N -0.89 2.07 0.00 4.82 3.52 -0.77 -4.76 118.95 122.93 1wuz s ARG 98 Ca 0.37 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 1wuz s ARG 98 Cb -0.23 -3.09 0.00 0.00 -1.56 0.00 0.00 34.95 30.07 1wuz s ARG 98 CO 0.27 -0.72 0.00 -3.47 -0.81 0.00 0.00 175.30 170.57 1wuz n ASP 99 N 4.44 0.00 -4.35 -2.12 2.03 -1.26 -2.02 116.55 113.27 1wuz n ASP 99 Ca -0.08 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.02 1wuz n ASP 99 Cb 0.42 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.71 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wuz s ILE 100 N -3.00 1.87 0.05 5.18 -4.36 -1.26 -5.03 121.20 114.64 1wuz s ILE 100 Ca 0.00 -2.03 0.19 0.00 -0.26 0.00 0.00 60.65 58.55 1wuz s ILE 100 Cb 0.00 -1.94 0.15 0.00 1.25 0.00 0.00 42.46 41.92 1wuz s ILE 100 CO 0.00 -0.39 1.67 -0.55 0.24 0.00 0.00 174.94 175.92 1wuz h ASN 101 N 3.00 0.00 -0.77 4.36 -1.07 -1.92 -3.02 115.58 116.15 1wuz h ASN 101 Ca -0.41 0.00 -0.38 0.00 0.07 0.00 0.00 56.30 55.58 1wuz h ASN 101 Cb 1.21 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.24 1wuz h ASN 101 CO 0.54 0.36 0.49 -0.67 0.07 0.00 0.00 177.43 178.22 1wuz n ASP 102 N -3.39 3.69 0.00 6.14 2.03 -1.26 -5.11 116.55 118.66 1wuz n ASP 102 Ca 0.01 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 52.07 1wuz n ASP 102 Cb 0.55 -0.76 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1wuz n ASP 102 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08